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Home> Hot Product Listed F   > F5074-0295
5399-58-6 structure

F5074-0295

Iupac Name:propane-2-sulfonate
CAS No.:5399-58-6
Molecular Weight:123.15088
Molecular Formula:C17H17N3O3 (isomer)
Names and Identifiers
Synonyms

AKOS024495123 MCULE-9519311376 MOLPORT-009-724-153 n-(5-(1-methyl-1h-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl)-3-phenoxybenzamide ZINC38661758

Inchi
InChI=1/C3H8O3S/c1-3(2)7(4,5)6/h3H,1-2H3,(H,4,5,6)/p-1
Canonical Smiles
CC(C)S(=O)(=O)[O-]
Properties
Melting Point
>300ºC(lit.)
Safety and Handling
Risk Statements
R22
Safety Statements
26-36/37/39
Computational chemical data
  • Molecular Weight:123.15088g/mol
  • Molecular Formula:C17H17N3O3
  • Exact Mass:123.01159
  • Monoisotopic Mass:123.01159
  • Complexity:113
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:65.6
  • Heavy Atom Count:7
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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